| CAS Number | 40995-47-9 |
| Catalog Number | AG01C1TK |
| Chemical Name | 1-Phenyl-1H-pyrazolo[3,4-d]pyridazin-4(5H)-one |
| IUPAC Name | 1-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one |
| InChI | InChI=1S/C11H8N4O/c16-11-9-6-13-15(10(9)7-12-14-11)8-4-2-1-3-5-8/h1-7H,(H,14,16) |
| InChI Key | ZSDCDEDITAIPBR-UHFFFAOYSA-N |
| MDL Number | MFCD29054893 |
| Molecular Formula | C11H8N4O |
| Molecular Weight | 212.2074 |
| SMILES | O=C1C2=C(N(C3=CC=CC=C3)N=C2)C=NN1 |
| Synonyms | 40995-47-9,
1-Phenyl-1H-pyrazolo[3,4-d]pyridazin-4(5H)-one,
AKOS027441730,
ZINC299805659,
1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyridazin-4-one,
Z2293604863,
1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.212g/mol |
| Monoisotopic Mass | 212.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number